CHEBI:46750 - hygrine

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ChEBI Name hygrine
ChEBI ID CHEBI:46750
Definition A 1-(1-methylpyrrolidin-2-yl)acetone that has R configuration. It is a pyrrolidine alkaloid found in the coca plant, Erythroxylum coca.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18717, CHEBI:5820
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Formula C8H15NO
Net Charge 0
Average Mass 141.21080
Monoisotopic Mass 141.115
InChI InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKey ADKXZIOQKHHDNQ-MRVPVSSYSA-N
SMILES CN1CCC[C@@H]1CC(C)=O
Metabolite of Species Details
Erythroxylum coca (NCBI:txid289672) Found in leaf (BTO:0000713). See: Ber., 1889, v22, 677
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing hygrine (CHEBI:46750) has role plant metabolite (CHEBI:76924)
hygrine (CHEBI:46750) is a 1-(1-methylpyrrolidin-2-yl)acetone (CHEBI:84448)
hygrine (CHEBI:46750) is a pyrrolidine alkaloid (CHEBI:26456)
hygrine (CHEBI:46750) is enantiomer of (−)-hygrine (CHEBI:92)
Incoming rac-hygrine (CHEBI:84449) has part hygrine (CHEBI:46750)
(−)-hygrine (CHEBI:92) is enantiomer of hygrine (CHEBI:46750)
IUPAC Name
1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
Synonyms Sources
(+)-Hygrine KEGG COMPOUND
(+)-N-methyl-2-acetonylpyrrolidine ChEBI
(R)-(+)-hygrine ChEBI
(R)-1-(1-methyl-2-pyrrolidinyl)-2-propanone NIST Chemistry WebBook
(R)-hygrine ChEBI
1-[(2R)-1-methylpyrrolidin-2-yl]acetone ChEBI
Hygrine KEGG COMPOUND
Manual Xrefs Databases
C00002046 KNApSAcK
C06179 KEGG COMPOUND
CPD-7995 MetaCyc
hygrine Wikipedia
View more database links
Registry Numbers Types Sources
496-49-1 CAS Registry Number KEGG COMPOUND
496-49-1 CAS Registry Number ChemIDplus
80977 Beilstein Registry Number Beilstein
80977 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16901174 PubMed citation Europe PMC
18224841 PubMed citation Europe PMC
22644 PubMed citation Europe PMC
24203138 PubMed citation Europe PMC
24656326 PubMed citation Europe PMC
5886264 PubMed citation Europe PMC
IND21241939 Agricola citation Europe PMC
Last Modified
23 January 2015